tert-butyl 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetate

C15H24N2O3 — CID 71186831

IUPACtert-butyl 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetate
SMILESCCn1c(=O)c2c(n1CC(=O)OC(C)(C)C)CCCC2
InChIInChI=1S/C15H24N2O3/c1-5-16-14(19)11-8-6-7-9-12(11)17(16)10-13(18)20-15(2,3)4/h5-10H2,1-4H3
InChIKeyOERSNZCJYVIMML-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.89
Rot. Bonds3

About tert-butyl 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetate

tert-butyl 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetate (PubChem CID 71186831) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetate
PubChem CID71186831
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetate
SMILESCCn1c(=O)c2c(n1CC(=O)OC(C)(C)C)CCCC2
InChIInChI=1S/C15H24N2O3/c1-5-16-14(19)11-8-6-7-9-12(11)17(16)10-13(18)20-15(2,3)4/h5-10H2,1-4H3
InChIKeyOERSNZCJYVIMML-UHFFFAOYSA-N
XLogP1.89
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate
CID 66022357
2-(2-ethyl-3-oxo-2,3,4,5,6,7-hexahydro-1H-indazol-1-yl)acetic acid
CID 71186933
tert-butyl 2-(3-oxo-2,3,4,5,6,7-hexahydro-1H-indazol-1-yl)acetate
CID 71187040
Tert-butyl 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetate;ethane
CID 144505592
tert-butyl 2-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)acetate;ethane
CID 144505809

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetate?
The IUPAC name of tert-butyl 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetate (CID 71186831) is tert-butyl 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetate is CCn1c(=O)c2c(n1CC(=O)OC(C)(C)C)CCCC2.
What is the InChIKey of tert-butyl 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetate?
The InChIKey is OERSNZCJYVIMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-16-14(19)11-8-6-7-9-12(11)17(16)10-13(18)20-15(2,3)4/h5-10H2,1-4H3.
What are the key properties of tert-butyl 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetate?
tert-butyl 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetate has a molecular weight of 280.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetate is sourced from PubChem (CID 71186831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).